[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-bromanyl-4-oxidanyl-benzoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl] 3-bromanyl-4-oxidanyl-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl] 3-bromo-4-hydroxy-benzoate CAS Name: 3-bromo-4-hydroxybenzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-bromo-4-hydroxybenzoate Traditional Name: 3-bromo-4-hydroxy-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl] ester Formula: C16H12BrNO6 MolecularWeight: 394.17358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)O)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)COC(=O)C3=CC(=C(C=C3)O)Br

InChI

InChI=1S/C16H12BrNO6/c17-11-5-9(1-3-12(11)19)16(21)22-7-15(20)18-10-2-4-13-14(6-10)24-8-23-13/h1-6,19H,7-8H2,(H,18,20)